Salvinorin A(P)
[CAS# 83729-01-5]

Identification

• Classification: Analytical chemistry >> Standard >> Standard material
• Name: Salvinorin A(P)
• Synonyms: Methyl (2S,4Ar,6Ar,7R,9S,10As,10Br)-9-Acetoxy-2-(3-Furyl)-6A,10B-Dimethyl-4,10-Dioxo-2,4A,5,6,7,8,9,10A-Octahydro-1H-Benzo[F]Isochromene-7-Carboxylate; (2S,4Ar,6Ar,7R,9S,10As,10Br)-9-Acetoxy-2-(3-Furyl)-6A,10B-Dimethyl-4,10-Dioxo-2,4A,5,6,7,8,9,10A-Octahydro-1H-Benzo[F]Isochromene-7-Carboxylic Acid Methyl Ester; (2S,4Ar,6Ar,7R,9S,10As,10Br)-9-Acetoxy-2-(3-Furyl)-4,10-Diketo-6A,10B-Dimethyl-2,4A,5,6,7,8,9,10A-Octahydro-1H-Benzo[F]Isochromene-7-Carboxylic Acid Methyl Ester
• Molecular Formula: C₂₃H₂₈O₈
• Molecular Weight: 432.47
• CAS Registry Number: 83729-01-5
• SMILES: [C@H]4(C1=COC=C1)OC(=O)[C@H]3[C@@]([C@@H]2[C@]([C@@H](C[C@@H](C2=O)OC(=O)C)C(=O)OC)(CC3)C)(C4)C
• InChI: 1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
• InChIKey: OBSYBRPAKCASQB-AGQYDFLVSA-N

Properties

• Density: 1.287g/cm³ (Cal.)
• Boiling point: 563.8°C at 760 mmHg (Cal.)
• Flash point: 294.776°C (Cal.)

References

• (1): Munro, Thomas Anthony. The Chemistry of Salvia divinorum, PhD Thesis, University of Melbourne, Australia, 2006.
• (2): Prevatt-Smith Katherine M., Lovell Kimberly M., Simpson Denise S., Day Victor W., Douglas Justin T., Bosch Peter, Dersch Christina M., Rothman Richard B., Kivell Bronwyn, Prisinzano Thomas E.. Potential drug abuse therapeutics derived from the hallucinogenic natural product salvinorin A, MedChemComm, 2011